Name |
Platycoside I |
Formula |
C64H104O33 |
Mw |
1400.64598585 |
CAS RN |
899447-61-1 |
C_ID |
C00031060
,
|
InChIKey |
DIDYPHWQPNJNGI-YMBPLURINA-N |
InChICode |
InChI=1S/C64H104O33/c1-23-49(94-54-44(80)35(71)27(68)18-86-54)43(79)48(84)55(90-23)95-50-36(72)28(69)19-87-57(50)97-58(85)64-13-12-59(2,3)14-25(64)24-8-9-33-60(4)15-26(67)51(61(5,22-66)32(60)10-11-62(33,6)63(24,7)16-34(64)70)96-56-47(83)42(78)39(75)31(93-56)21-89-53-46(82)41(77)38(74)30(92-53)20-88-52-45(81)40(76)37(73)29(17-65)91-52/h8,23,25-57,65-84H,9-22H2,1-7H3/t23-,25-,26-,27+,28-,29+,30+,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+,60-,61-,62+,63+,64+/m0/s1 |
SMILES |
[C@H]1([C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Campanulaceae/Lobeliaceae | Platycodon grandiflorum A.DC. | Ref. |
|
|
zoom in
|